UCSF

ZINC35048463

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.56 4.82 -18.36 6 6 0 110 343.39 3
Mid Mid (pH 6-8) 2.56 5.23 -34.52 7 6 1 111 344.398 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )